E009-0052 Screening compound: N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

E009-0052 Screening compound: N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
E009-0052 Screening compound: N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E009-0052
N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E009-0052

Molecular Formula

C27H29N5O2 (C27 H29 N5 O2)

Compound Name

N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-(3-methoxyphenyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

COc1cccc(NC(C2CCN(Cc3c(-n4cccc4)n(-c4ccccc4)nc3)CC2)=O)c1

InChI

InChI=1S/C27H29N5O2/c1-34-25-11-7-8-23(18-25)29-26(33)21-12-16-30(17-13-21)20-22-19-28-32(24-9-3-2-4-10-24)27(22)31-14-5-6-15-31/h2-11,14-15,18-19,21H,12-13,16-17,20H2,1H3,(H,29,33)

InChI Key

WNCALWIAHXATTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

0.954

Water Solubility, LogSw

-4.05

Polar Surface Area

51.463

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

10.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E009-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Human Ion Channels Annotated Library (353 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E009-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0052?
Check Price and Availability of E009-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E009-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0052
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E009-0052 available by request